N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine

C11H21NO2S2 — CID 134269864

IUPACN-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine
SMILESC=C[C@@H](C)N(C)C1(SC)CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S2/c1-5-10(2)12(3)11(15-4)6-8-16(13,14)9-7-11/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1
InChIKeyOJGQUWPSRUXHDN-SNVBAGLBSA-N
MW263.43 g/mol
LogP1.76
Rot. Bonds4

About N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine

N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine (PubChem CID 134269864) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine
PubChem CID134269864
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC NameN-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine
SMILESC=C[C@@H](C)N(C)C1(SC)CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S2/c1-5-10(2)12(3)11(15-4)6-8-16(13,14)9-7-11/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1
InChIKeyOJGQUWPSRUXHDN-SNVBAGLBSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine?
The IUPAC name of N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine (CID 134269864) is N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine is C=C[C@@H](C)N(C)C1(SC)CCS(=O)(=O)CC1.
What is the InChIKey of N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine?
The InChIKey is OJGQUWPSRUXHDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2S2/c1-5-10(2)12(3)11(15-4)6-8-16(13,14)9-7-11/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1.
What are the key properties of N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine?
N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine has a molecular weight of 263.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 134269864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).